6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile

C19H19F3N6O2 — CID 136951016

IUPAC6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)ccc1C#N
InChIInChI=1S/C19H19F3N6O2/c1-10-12(9-23)2-3-13(24-10)28-6-4-11(5-7-28)16-15-17(27-26-16)25-14(29)8-18(15,30)19(20,21)22/h2-3,11,30H,4-8H2,1H3,(H2,25,26,27,29)
InChIKeyQYNLSZCJEQXJOI-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.46
Rot. Bonds2

About 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile

6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile (PubChem CID 136951016) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile
PubChem CID136951016
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)ccc1C#N
InChIInChI=1S/C19H19F3N6O2/c1-10-12(9-23)2-3-13(24-10)28-6-4-11(5-7-28)16-15-17(27-26-16)25-14(29)8-18(15,30)19(20,21)22/h2-3,11,30H,4-8H2,1H3,(H2,25,26,27,29)
InChIKeyQYNLSZCJEQXJOI-UHFFFAOYSA-N
XLogP2.46
TPSA117.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile (CID 136951016) is 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile is Cc1nc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)ccc1C#N.
What is the InChIKey of 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile?
The InChIKey is QYNLSZCJEQXJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-10-12(9-23)2-3-13(24-10)28-6-4-11(5-7-28)16-15-17(27-26-16)25-14(29)8-18(15,30)19(20,21)22/h2-3,11,30H,4-8H2,1H3,(H2,25,26,27,29).
What are the key properties of 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile?
6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile has a molecular weight of 420.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 136951016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).